5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole
TL;DR: 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole (CAS 353256-70-9) is a chemical compound with molecular formula C9H9N5O2S and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-[(2-nitrophenyl)methylsulfanyl]tetrazole
Also Known As: 5-({2-Nitrobenzyl}, 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole, 1-methyl-5-[(2-nitrophenyl)methylsulfanyl]tetrazole, AI-204/31687055
| Molecular Formula | C9H9N5O2S |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 1.4106 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.0477 |
| Heavy Atoms | 17 |
| Complexity | 541.68744 |
Chemical Identifiers
| CAS Number | 353256-70-9 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole (CAS 353256-70-9), with molecular formula C9H9N5O2S and molecular weight 251.05 g/mol. IUPAC: 1-methyl-5-[(2-nitrophenyl)methylsulfanyl]tetrazole.
Chemical Property Profile of 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole
Property Insights of 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole
The XLogP value of 1.4106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole. Following Lipinski's Rule of Five, 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole?
The CAS number of 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole is 353256-70-9.
What is the molecular formula of 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole?
The molecular formula of 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole is C9H9N5O2S.
What is the molecular weight of 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole?
The molecular weight of 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole is 251.05 g/mol.
Where can I buy 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole?
You can request a quote for 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 5-({2-nitrobenzyl}sulfanyl)-1-methyl-1H-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.